N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide

C26H35N3O2 — CID 16988067

IUPACN-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1
InChIInChI=1S/C26H35N3O2/c1-4-26(30)27-16-9-5-6-13-25-28-23-11-7-8-12-24(23)29(25)17-10-18-31-22-15-14-20(2)21(3)19-22/h7-8,11-12,14-15,19H,4-6,9-10,13,16-18H2,1-3H3,(H,27,30)
InChIKeyOQPDLZPWSVCXFB-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.36
Rot. Bonds12

About N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide

N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988067) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988067
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1
InChIInChI=1S/C26H35N3O2/c1-4-26(30)27-16-9-5-6-13-25-28-23-11-7-8-12-24(23)29(25)17-10-18-31-22-15-14-20(2)21(3)19-22/h7-8,11-12,14-15,19H,4-6,9-10,13,16-18H2,1-3H3,(H,27,30)
InChIKeyOQPDLZPWSVCXFB-UHFFFAOYSA-N
XLogP5.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980755
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988237
N-[5-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988131
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993436
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994385
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994084
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16990011
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990335
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991978

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988067) is N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is CCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1.
What is the InChIKey of N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is OQPDLZPWSVCXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-26(30)27-16-9-5-6-13-25-28-23-11-7-8-12-24(23)29(25)17-10-18-31-22-15-14-20(2)21(3)19-22/h7-8,11-12,14-15,19H,4-6,9-10,13,16-18H2,1-3H3,(H,27,30).
What are the key properties of N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).